KEGG   DRUG: DanirixinHelp
Entry
D10387                      Drug                                   

Name
Danirixin (USAN/INN)
Formula
C19H21ClFN3O4S
Exact mass
441.0925
Mol weight
441.9041
Structure
Mol fileKCF fileDB search
Efficacy
Anti-inflammatory, Chemokine (C-X-C motif) receptor 2 antagonist
Comment
Treatment of COPD
Target
CXCR2 (IL8RB, CD182) [HSA:3579] [KO:K05050]
  Pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa04062  Chemokine signaling pathway
Brite
Target-based classification of drugs [BR:br08310]
 Cytokines and receptors
  Cytokine receptors
   Chemokine receptors
    CXCR2 (IL8RB, CD182)
     D10387  Danirixin (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 954126-98-8
PubChem: 172232480
ChEMBL: CHEMBL3039531
LinkDB All DBs
KCF data Show

ATOM        29
            1   C1x C    10.2200  -18.8300
            2   C1x C    10.2200  -20.2300
            3   C1x C    11.4324  -20.9300
            4   C1y C    12.6449  -20.2300
            5   C1x C    12.6449  -18.8300
            6   N1x N    11.4324  -18.1300
            7   S4a S    13.8760  -20.9410
            8   C8y C    15.0812  -20.2453
            9   C8y C    16.2635  -20.9281
            10  C8y C    17.4760  -20.2283
            11  C8x C    17.4762  -18.8283
            12  C8x C    16.2938  -18.1455
            13  C8y C    15.0813  -18.8453
            14  N1b N    18.7070  -20.9393
            15  C5a C    19.9107  -20.2446
            16  N1b N    21.0937  -20.9278
            17  O5a O    19.9113  -18.8303
            18  C8y C    22.2874  -20.2387
            19  C8x C    23.4754  -20.9249
            20  C8x C    24.6879  -20.2250
            21  C8x C    24.6882  -18.8250
            22  C8y C    23.5002  -18.1389
            23  C8y C    22.2877  -18.8387
            24  X   F    23.5003  -16.7301
            25  C1a C    21.0509  -18.1243
            26  O1a O    16.2634  -22.3298
            27  O3c O    13.1760  -22.1535
            28  O3c O    14.5760  -22.1535
            29  X   Cl   13.8389  -18.1278
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1 #Up
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   10  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   21  22 1
            24   22  23 2
            25   18  23 1
            26   22  24 1
            27   23  25 1
            28    9  26 1
            29    7  27 2
            30    7  28 2
            31   13  29 1

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